Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | BRAF | P15056 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2340465 | 0.94 | CYP1A2 (0.39) | CYP1A2TSHRADORA3ADORA2AADORA2B | |
| SCHEMBL827495 | 0.91 | CYP1A2 (0.43) | CYP1A2TSHRADORA3ADORA2AADORA2B | |
| SCHEMBL2343141 | 0.87 | ADORA3 (0.41) | CYP1A2ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL827727 | 0.86 | CYP1A2 (0.42) | CYP1A2TSHRADORA3ADORA2AADORA2B | |
| SCHEMBL2343983 | 0.82 | ADORA3 (0.38) | CYP1A2ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL827708 | 0.80 | CYP1A2 (0.42) | CYP1A2ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL827578 | 0.79 | CYP1A2 (0.41) | CYP1A2ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL827982 | 0.75 | CYP1A2 (0.39) | CYP1A2ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL827698 | 0.74 | CYP1A2 (0.41) | CYP1A2ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL827764 | 0.74 | CYP1A2 (0.39) | CYP1A2ADORA3ADORA2AADORA2BADORA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2205594-B1 | 1,3,5-TRISUBSTITUTED TRIAZOLE DERIVATIVE | JANSSEN PHARMACEUTICA NV (BE) | 2011-08-31 | — | — | EP | disclosed |